V021-2013 Screening compound: 2-({4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}sulfonyl)benzonitrile

V021-2013 Screening compound: 2-({4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}sulfonyl)benzonitrile
V021-2013 Screening compound: 2-({4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2013
2-({4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}sulfonyl)benzonitrile

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V021-2013

Molecular Formula

C25H19F3N4O3S (C25 H19 F3 N4 O3 S)

Compound Name

2-({4-[7-(trifluoromethyl)dibenzo[b,f][1,4]oxazepin-11-yl]piperazino}sulfonyl)benzonitrile

IUPAC name

2-({4-[5-(trifluoromethyl)-2-oxa-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)35791214-heptaen-10-yl]piperazin-1-yl}sulfonyl)benzonitrile

SMILES

N#Cc(cccc1)c1S(N(CC1)CCN1C1=Nc(ccc(C(F)(F)F)c2)c2Oc2c1cccc2)(=O)=O

InChI

InChI=1S/C25H19F3N4O3S/c26-25(27,28)18-9-10-20-22(15-18)35-21-7-3-2-6-19(21)24(30-20)31-11-13-32(14-12-31)36(33,34)23-8-4-1-5-17(23)16-29/h1-10,15H,11-14H2

InChI Key

DTDYEHPQHALTIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284222

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

3.192

Water Solubility, LogSw

-4.49

Polar Surface Area

66.837

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V021-2013 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V021-2013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2013?
Check Price and Availability of V021-2013, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V021-2013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2013
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V021-2013 available by request